3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine

C22H34N2O — CID 14751988

IUPAC3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCO/N=C1\CCCC\C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-10-16-25-23-22-14-9-8-13-21(22)17-20-11-6-5-7-12-20/h5-7,11-12,17-19H,8-10,13-16H2,1-4H3/b21-17+,23-22+
InChIKeyVRESZXAAQNYQAD-SZVLODPRSA-N
MW342.53 g/mol
LogP5.53
Rot. Bonds8

About 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine

3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine (PubChem CID 14751988) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine
PubChem CID14751988
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine
SMILESCC(C)N(CCCO/N=C1\CCCC\C1=C/c1ccccc1)C(C)C
InChIInChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-10-16-25-23-22-14-9-8-13-21(22)17-20-11-6-5-7-12-20/h5-7,11-12,17-19H,8-10,13-16H2,1-4H3/b21-17+,23-22+
InChIKeyVRESZXAAQNYQAD-SZVLODPRSA-N
XLogP5.53
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine?
The IUPAC name of 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine (CID 14751988) is 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine.
What is the SMILES notation for 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine?
The canonical SMILES for 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine is CC(C)N(CCCO/N=C1\CCCC\C1=C/c1ccccc1)C(C)C.
What is the InChIKey of 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine?
The InChIKey is VRESZXAAQNYQAD-SZVLODPRSA-N. The full InChI is InChI=1S/C22H34N2O/c1-18(2)24(19(3)4)15-10-16-25-23-22-14-9-8-13-21(22)17-20-11-6-5-7-12-20/h5-7,11-12,17-19H,8-10,13-16H2,1-4H3/b21-17+,23-22+.
What are the key properties of 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine?
3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine has a molecular weight of 342.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(2E)-2-benzylidenecyclohexylidene]amino]oxy-N,N-di(propan-2-yl)propan-1-amine is sourced from PubChem (CID 14751988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).